Hi Edward,

Just wanted to update you on the status of my runs. I had 2 potential dimer
structures. I ran Chain A and B for one of them, and Chain B for the other.
All the results were all very similar. There was missing data though
throughout (i.e. I had data for some residues for Chain A that had no data
in Chain B, Or chain A for one pdb file and Chain B for the other pdb file
would have data, but Chain B for the other pdb file wouldn't). The data
that is there for all 3 though does make sense. Thank you so much for your


On Sat, Oct 1, 2016 at 11:17 AM, Edward d'Auvergne <edw...@nmr-relax.com>

> On 1 October 2016 at 20:14, Mahdi, Sam <sam.mahdi....@my.csun.edu> wrote:
> > Hi Edward,
> >
> > Oh ok. Thank you for your help, I was able to resolve the problems I had
> > with both proteins, and now they are both running. Since there is
> symmetry
> > within the dimer, both chain A and chain B will give me the same S^2
> results
> > correct?
> Hi Sam,
> That depends.  If you superimpose A and B and have an RMSD of
> 0.000000000000000000000, then the S2 values will be identical.  But if
> the docking software changed the monomer structures slightly so the
> RMSD is not exactly zero, then the S2 values will be slightly
> different for some residues.  You can use relax to superimpose
> structures and determine the RMSD to very high precision, if you like,
> but I'll leave that to you as a learning exercise ;)
> Regards,
> Edward
relax (http://www.nmr-relax.com)

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